SCHEMBL3846633

SCHEMBL3846633

CNS(=O)(=O)c1cccc(CC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.49
POLB P06746 2/20 0.47
EGFR P00533 2/20 0.47
ERBB2 P04626 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
AKR1B1 P15121 1/20 0.46
GRK6 P43250 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
PTBP1 P26599 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AKR1C3 P42330 1/20 0.43
FABP4 P15090 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28183347 0.87 NQO2 (0.45) POLBEGFRERBB2TDP1LMNA
SCHEMBL398496 0.85 POLB (0.44) POLBEGFRERBB2TDP1GRK6
SCHEMBL2766417 0.84 ALDH1A1 (0.52) PTGDR2EGFRERBB2LMNAAKR1C3
SCHEMBL18151701 0.82 AKR1C3 (0.52) PTGDR2CYP2C19AKR1C3
SCHEMBL335277 0.81 ALDH1A1 (0.54) PTGDR2EGFRERBB2AKR1B1CYP1A2
SCHEMBL5293352 0.81 IKBKB (0.48) POLBEGFRTDP1LMNAPTBP1
SCHEMBL18151609 0.81 TSHR (0.47) POLBEGFRERBB2TDP1CYP2C19
SCHEMBL167735 0.80 PSIP1 (0.52) PTGDR2POLBEGFRERBB2TDP1
SCHEMBL8930343 0.80 AKR1B1 (0.52) PTGDR2POLBEGFRERBB2TDP1
SCHEMBL12217548 0.80 KAT6A (0.49) EGFRTDP1LMNAL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105980353-B ROR gamma modulators 领先制药控股公司 2019-06-14 CN disclosed
EP-3077372-B1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING BV (NL) 2019-02-06 EP disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 US disclosed
CN-105980353-A ROR gamma modulators 领先制药CEL模型知识产权公司 2016-09-28 CN disclosed
EP-2099757-A2 SULFOXIMINES AS KINASE INHIBITORS Allergan, Inc. (US) 2009-09-16 EP disclosed
WO-2008061236-A2 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2008-05-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS RORC, RORA, RORB PTGDR2 958/4885POLB 4288/4885EGFR 1183/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.